USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 359 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : B 712 CYS SG : rot 180:sc= 0 USER MOD Single : B 716 LYS NZ :NH3+ 158:sc= -0.055 (180deg=-0.521) USER MOD Single : B 720 THR OG1 : rot 77:sc= 0.283 USER MOD Single : B 722 HIS : no HD1:sc= -0.0101 X(o=-0.01,f=-0.01) USER MOD Single : B 725 LYS NZ :NH3+ 163:sc= -0.0102 (180deg=-0.361) USER MOD Single : B 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 744 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.095!) USER MOD Single : B 747 TYR OH : rot 180:sc= 0 USER MOD Single : B 748 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0254) USER MOD Single : B 751 THR OG1 : rot 71:sc= 0.272 USER MOD Single : B 752 SER OG : rot 180:sc= 0 USER MOD Single : B 753 THR OG1 : rot 76:sc= 0.293 USER MOD Single : B 755 THR OG1 : rot 180:sc= 0.00495 USER MOD Single : B 756 ASN : amide:sc= -1.79! C(o=-1.8!,f=-5.2!) USER MOD Single : B 758 THR OG1 : rot 142:sc= 0.114 USER MOD ----------------------------------------------------------------- ATOM 12 N PRO B 710 -9.723 3.398 16.103 1.00 0.00 N ATOM 13 CA PRO B 710 -8.348 3.426 16.680 1.00 0.00 C ATOM 14 C PRO B 710 -7.340 2.689 15.801 1.00 0.00 C ATOM 15 O PRO B 710 -7.661 1.663 15.195 1.00 0.00 O ATOM 16 CB PRO B 710 -8.509 2.734 18.045 1.00 0.00 C ATOM 17 CG PRO B 710 -9.722 1.868 17.899 1.00 0.00 C ATOM 18 CD PRO B 710 -10.645 2.592 16.919 1.00 0.00 C ATOM 0 HA PRO B 710 -7.957 4.440 16.760 1.00 0.00 H new ATOM 0 HB2 PRO B 710 -7.629 2.142 18.294 1.00 0.00 H new ATOM 0 HB3 PRO B 710 -8.639 3.463 18.845 1.00 0.00 H new ATOM 0 HG2 PRO B 710 -9.453 0.881 17.524 1.00 0.00 H new ATOM 0 HG3 PRO B 710 -10.213 1.721 18.861 1.00 0.00 H new ATOM 0 HD2 PRO B 710 -11.211 1.889 16.308 1.00 0.00 H new ATOM 0 HD3 PRO B 710 -11.370 3.217 17.439 1.00 0.00 H new ATOM 26 N GLU B 711 -6.118 3.208 15.751 1.00 0.00 N ATOM 27 CA GLU B 711 -5.070 2.588 14.951 1.00 0.00 C ATOM 28 C GLU B 711 -5.079 1.073 15.135 1.00 0.00 C ATOM 29 O GLU B 711 -4.710 0.326 14.228 1.00 0.00 O ATOM 30 CB GLU B 711 -3.703 3.143 15.358 1.00 0.00 C ATOM 31 CG GLU B 711 -2.625 2.580 14.429 1.00 0.00 C ATOM 32 CD GLU B 711 -1.264 3.160 14.798 1.00 0.00 C ATOM 33 OE1 GLU B 711 -1.165 3.758 15.856 1.00 0.00 O ATOM 34 OE2 GLU B 711 -0.342 2.996 14.017 1.00 0.00 O ATOM 0 H GLU B 711 -5.831 4.050 16.251 1.00 0.00 H new ATOM 0 HA GLU B 711 -5.258 2.817 13.902 1.00 0.00 H new ATOM 0 HB2 GLU B 711 -3.711 4.232 15.305 1.00 0.00 H new ATOM 0 HB3 GLU B 711 -3.483 2.875 16.391 1.00 0.00 H new ATOM 0 HG2 GLU B 711 -2.599 1.493 14.505 1.00 0.00 H new ATOM 0 HG3 GLU B 711 -2.864 2.821 13.393 1.00 0.00 H new ATOM 41 N CYS B 712 -5.506 0.626 16.310 1.00 0.00 N ATOM 42 CA CYS B 712 -5.563 -0.803 16.599 1.00 0.00 C ATOM 43 C CYS B 712 -6.566 -1.495 15.683 1.00 0.00 C ATOM 44 O CYS B 712 -6.316 -2.596 15.191 1.00 0.00 O ATOM 45 CB CYS B 712 -5.964 -1.025 18.057 1.00 0.00 C ATOM 46 SG CYS B 712 -4.648 -0.425 19.145 1.00 0.00 S ATOM 0 H CYS B 712 -5.816 1.227 17.074 1.00 0.00 H new ATOM 0 HA CYS B 712 -4.575 -1.229 16.425 1.00 0.00 H new ATOM 0 HB2 CYS B 712 -6.895 -0.501 18.273 1.00 0.00 H new ATOM 0 HB3 CYS B 712 -6.145 -2.085 18.238 1.00 0.00 H new ATOM 0 HG CYS B 712 -4.991 -0.612 20.385 1.00 0.00 H new ATOM 52 N LEU B 713 -7.701 -0.840 15.456 1.00 0.00 N ATOM 53 CA LEU B 713 -8.730 -1.404 14.597 1.00 0.00 C ATOM 54 C LEU B 713 -8.211 -1.563 13.171 1.00 0.00 C ATOM 55 O LEU B 713 -8.450 -2.583 12.523 1.00 0.00 O ATOM 56 CB LEU B 713 -9.970 -0.501 14.601 1.00 0.00 C ATOM 57 CG LEU B 713 -11.011 -1.040 13.612 1.00 0.00 C ATOM 58 CD1 LEU B 713 -11.363 -2.490 13.975 1.00 0.00 C ATOM 59 CD2 LEU B 713 -12.268 -0.177 13.678 1.00 0.00 C ATOM 0 H LEU B 713 -7.928 0.072 15.852 1.00 0.00 H new ATOM 0 HA LEU B 713 -9.000 -2.387 14.982 1.00 0.00 H new ATOM 0 HB2 LEU B 713 -10.396 -0.458 15.603 1.00 0.00 H new ATOM 0 HB3 LEU B 713 -9.690 0.517 14.329 1.00 0.00 H new ATOM 0 HG LEU B 713 -10.602 -1.010 12.602 1.00 0.00 H new ATOM 0 HD11 LEU B 713 -12.103 -2.872 13.271 1.00 0.00 H new ATOM 0 HD12 LEU B 713 -10.465 -3.106 13.927 1.00 0.00 H new ATOM 0 HD13 LEU B 713 -11.772 -2.523 14.985 1.00 0.00 H new ATOM 0 HD21 LEU B 713 -13.009 -0.559 12.976 1.00 0.00 H new ATOM 0 HD22 LEU B 713 -12.677 -0.206 14.688 1.00 0.00 H new ATOM 0 HD23 LEU B 713 -12.017 0.851 13.418 1.00 0.00 H new ATOM 71 N ILE B 714 -7.514 -0.542 12.684 1.00 0.00 N ATOM 72 CA ILE B 714 -6.971 -0.581 11.333 1.00 0.00 C ATOM 73 C ILE B 714 -5.940 -1.695 11.209 1.00 0.00 C ATOM 74 O ILE B 714 -5.921 -2.429 10.222 1.00 0.00 O ATOM 75 CB ILE B 714 -6.327 0.766 10.988 1.00 0.00 C ATOM 76 CG1 ILE B 714 -7.422 1.821 10.812 1.00 0.00 C ATOM 77 CG2 ILE B 714 -5.523 0.640 9.694 1.00 0.00 C ATOM 78 CD1 ILE B 714 -8.092 2.116 12.157 1.00 0.00 C ATOM 0 H ILE B 714 -7.314 0.315 13.200 1.00 0.00 H new ATOM 0 HA ILE B 714 -7.785 -0.777 10.635 1.00 0.00 H new ATOM 0 HB ILE B 714 -5.658 1.065 11.795 1.00 0.00 H new ATOM 0 HG12 ILE B 714 -6.994 2.736 10.402 1.00 0.00 H new ATOM 0 HG13 ILE B 714 -8.165 1.469 10.097 1.00 0.00 H new ATOM 0 HG21 ILE B 714 -5.067 1.601 9.454 1.00 0.00 H new ATOM 0 HG22 ILE B 714 -4.742 -0.110 9.822 1.00 0.00 H new ATOM 0 HG23 ILE B 714 -6.185 0.339 8.882 1.00 0.00 H new ATOM 0 HD11 ILE B 714 -8.869 2.868 12.019 1.00 0.00 H new ATOM 0 HD12 ILE B 714 -8.537 1.202 12.550 1.00 0.00 H new ATOM 0 HD13 ILE B 714 -7.347 2.489 12.860 1.00 0.00 H new ATOM 90 N TRP B 715 -5.075 -1.805 12.210 1.00 0.00 N ATOM 91 CA TRP B 715 -4.034 -2.825 12.197 1.00 0.00 C ATOM 92 C TRP B 715 -4.651 -4.213 12.060 1.00 0.00 C ATOM 93 O TRP B 715 -4.171 -5.041 11.292 1.00 0.00 O ATOM 94 CB TRP B 715 -3.216 -2.753 13.487 1.00 0.00 C ATOM 95 CG TRP B 715 -2.115 -3.763 13.435 1.00 0.00 C ATOM 96 CD1 TRP B 715 -2.071 -4.901 14.165 1.00 0.00 C ATOM 97 CD2 TRP B 715 -0.903 -3.746 12.628 1.00 0.00 C ATOM 98 NE1 TRP B 715 -0.908 -5.584 13.857 1.00 0.00 N ATOM 99 CE2 TRP B 715 -0.155 -4.913 12.914 1.00 0.00 C ATOM 100 CE3 TRP B 715 -0.384 -2.842 11.684 1.00 0.00 C ATOM 101 CZ2 TRP B 715 1.063 -5.174 12.287 1.00 0.00 C ATOM 102 CZ3 TRP B 715 0.842 -3.101 11.050 1.00 0.00 C ATOM 103 CH2 TRP B 715 1.564 -4.265 11.350 1.00 0.00 C ATOM 0 H TRP B 715 -5.073 -1.205 13.035 1.00 0.00 H new ATOM 0 HA TRP B 715 -3.381 -2.642 11.344 1.00 0.00 H new ATOM 0 HB2 TRP B 715 -2.801 -1.753 13.612 1.00 0.00 H new ATOM 0 HB3 TRP B 715 -3.857 -2.942 14.348 1.00 0.00 H new ATOM 0 HD1 TRP B 715 -2.821 -5.223 14.872 1.00 0.00 H new ATOM 0 HE1 TRP B 715 -0.640 -6.475 14.275 1.00 0.00 H new ATOM 0 HE3 TRP B 715 -0.932 -1.943 11.445 1.00 0.00 H new ATOM 0 HZ2 TRP B 715 1.615 -6.072 12.523 1.00 0.00 H new ATOM 0 HZ3 TRP B 715 1.231 -2.399 10.327 1.00 0.00 H new ATOM 0 HH2 TRP B 715 2.506 -4.459 10.858 1.00 0.00 H new ATOM 114 N LYS B 716 -5.723 -4.455 12.807 1.00 0.00 N ATOM 115 CA LYS B 716 -6.398 -5.745 12.759 1.00 0.00 C ATOM 116 C LYS B 716 -6.940 -6.019 11.365 1.00 0.00 C ATOM 117 O LYS B 716 -6.899 -7.152 10.886 1.00 0.00 O ATOM 118 CB LYS B 716 -7.548 -5.767 13.771 1.00 0.00 C ATOM 119 CG LYS B 716 -6.986 -5.654 15.198 1.00 0.00 C ATOM 120 CD LYS B 716 -6.546 -7.037 15.690 1.00 0.00 C ATOM 121 CE LYS B 716 -6.083 -6.937 17.140 1.00 0.00 C ATOM 122 NZ LYS B 716 -7.248 -6.615 18.011 1.00 0.00 N ATOM 0 H LYS B 716 -6.140 -3.780 13.448 1.00 0.00 H new ATOM 0 HA LYS B 716 -5.675 -6.521 13.010 1.00 0.00 H new ATOM 0 HB2 LYS B 716 -8.234 -4.943 13.574 1.00 0.00 H new ATOM 0 HB3 LYS B 716 -8.119 -6.690 13.667 1.00 0.00 H new ATOM 0 HG2 LYS B 716 -6.141 -4.966 15.213 1.00 0.00 H new ATOM 0 HG3 LYS B 716 -7.743 -5.243 15.866 1.00 0.00 H new ATOM 0 HD2 LYS B 716 -7.372 -7.744 15.609 1.00 0.00 H new ATOM 0 HD3 LYS B 716 -5.738 -7.417 15.065 1.00 0.00 H new ATOM 0 HE2 LYS B 716 -5.629 -7.877 17.454 1.00 0.00 H new ATOM 0 HE3 LYS B 716 -5.319 -6.166 17.237 1.00 0.00 H new ATOM 0 HZ1 LYS B 716 -7.041 -6.905 18.988 1.00 0.00 H new ATOM 0 HZ2 LYS B 716 -7.429 -5.591 17.984 1.00 0.00 H new ATOM 0 HZ3 LYS B 716 -8.088 -7.124 17.669 1.00 0.00 H new ATOM 136 N LEU B 717 -7.444 -4.976 10.719 1.00 0.00 N ATOM 137 CA LEU B 717 -7.987 -5.117 9.381 1.00 0.00 C ATOM 138 C LEU B 717 -6.912 -5.615 8.421 1.00 0.00 C ATOM 139 O LEU B 717 -7.178 -6.442 7.547 1.00 0.00 O ATOM 140 CB LEU B 717 -8.532 -3.769 8.890 1.00 0.00 C ATOM 141 CG LEU B 717 -9.150 -3.933 7.496 1.00 0.00 C ATOM 142 CD1 LEU B 717 -10.345 -4.900 7.569 1.00 0.00 C ATOM 143 CD2 LEU B 717 -9.621 -2.574 6.983 1.00 0.00 C ATOM 0 H LEU B 717 -7.487 -4.030 11.099 1.00 0.00 H new ATOM 0 HA LEU B 717 -8.798 -5.844 9.412 1.00 0.00 H new ATOM 0 HB2 LEU B 717 -9.281 -3.394 9.588 1.00 0.00 H new ATOM 0 HB3 LEU B 717 -7.729 -3.032 8.857 1.00 0.00 H new ATOM 0 HG LEU B 717 -8.401 -4.338 6.815 1.00 0.00 H new ATOM 0 HD11 LEU B 717 -10.782 -5.014 6.577 1.00 0.00 H new ATOM 0 HD12 LEU B 717 -10.006 -5.871 7.930 1.00 0.00 H new ATOM 0 HD13 LEU B 717 -11.095 -4.501 8.252 1.00 0.00 H new ATOM 0 HD21 LEU B 717 -10.060 -2.691 5.992 1.00 0.00 H new ATOM 0 HD22 LEU B 717 -10.367 -2.167 7.665 1.00 0.00 H new ATOM 0 HD23 LEU B 717 -8.772 -1.893 6.925 1.00 0.00 H new ATOM 155 N LEU B 718 -5.703 -5.097 8.578 1.00 0.00 N ATOM 156 CA LEU B 718 -4.608 -5.492 7.713 1.00 0.00 C ATOM 157 C LEU B 718 -4.327 -6.985 7.856 1.00 0.00 C ATOM 158 O LEU B 718 -4.082 -7.684 6.873 1.00 0.00 O ATOM 159 CB LEU B 718 -3.338 -4.687 8.076 1.00 0.00 C ATOM 160 CG LEU B 718 -2.487 -4.468 6.820 1.00 0.00 C ATOM 161 CD1 LEU B 718 -2.190 -5.821 6.154 1.00 0.00 C ATOM 162 CD2 LEU B 718 -3.255 -3.562 5.828 1.00 0.00 C ATOM 0 H LEU B 718 -5.459 -4.409 9.290 1.00 0.00 H new ATOM 0 HA LEU B 718 -4.887 -5.285 6.680 1.00 0.00 H new ATOM 0 HB2 LEU B 718 -3.616 -3.727 8.510 1.00 0.00 H new ATOM 0 HB3 LEU B 718 -2.760 -5.222 8.830 1.00 0.00 H new ATOM 0 HG LEU B 718 -1.548 -3.989 7.099 1.00 0.00 H new ATOM 0 HD11 LEU B 718 -1.585 -5.662 5.261 1.00 0.00 H new ATOM 0 HD12 LEU B 718 -1.647 -6.459 6.852 1.00 0.00 H new ATOM 0 HD13 LEU B 718 -3.127 -6.303 5.876 1.00 0.00 H new ATOM 0 HD21 LEU B 718 -2.650 -3.406 4.935 1.00 0.00 H new ATOM 0 HD22 LEU B 718 -4.195 -4.040 5.551 1.00 0.00 H new ATOM 0 HD23 LEU B 718 -3.462 -2.601 6.298 1.00 0.00 H new ATOM 174 N ILE B 719 -4.347 -7.465 9.090 1.00 0.00 N ATOM 175 CA ILE B 719 -4.083 -8.876 9.352 1.00 0.00 C ATOM 176 C ILE B 719 -5.137 -9.746 8.677 1.00 0.00 C ATOM 177 O ILE B 719 -4.814 -10.760 8.058 1.00 0.00 O ATOM 178 CB ILE B 719 -4.092 -9.137 10.857 1.00 0.00 C ATOM 179 CG1 ILE B 719 -3.087 -8.206 11.543 1.00 0.00 C ATOM 180 CG2 ILE B 719 -3.702 -10.591 11.126 1.00 0.00 C ATOM 181 CD1 ILE B 719 -3.214 -8.342 13.062 1.00 0.00 C ATOM 0 H ILE B 719 -4.541 -6.906 9.921 1.00 0.00 H new ATOM 0 HA ILE B 719 -3.103 -9.127 8.947 1.00 0.00 H new ATOM 0 HB ILE B 719 -5.091 -8.949 11.251 1.00 0.00 H new ATOM 0 HG12 ILE B 719 -2.073 -8.454 11.229 1.00 0.00 H new ATOM 0 HG13 ILE B 719 -3.269 -7.174 11.244 1.00 0.00 H new ATOM 0 HG21 ILE B 719 -3.709 -10.777 12.200 1.00 0.00 H new ATOM 0 HG22 ILE B 719 -4.416 -11.255 10.639 1.00 0.00 H new ATOM 0 HG23 ILE B 719 -2.703 -10.779 10.731 1.00 0.00 H new ATOM 0 HD11 ILE B 719 -2.498 -7.679 13.548 1.00 0.00 H new ATOM 0 HD12 ILE B 719 -4.225 -8.072 13.368 1.00 0.00 H new ATOM 0 HD13 ILE B 719 -3.010 -9.372 13.353 1.00 0.00 H new ATOM 193 N THR B 720 -6.397 -9.342 8.799 1.00 0.00 N ATOM 194 CA THR B 720 -7.491 -10.093 8.193 1.00 0.00 C ATOM 195 C THR B 720 -7.334 -10.142 6.677 1.00 0.00 C ATOM 196 O THR B 720 -7.504 -11.194 6.062 1.00 0.00 O ATOM 197 CB THR B 720 -8.831 -9.447 8.552 1.00 0.00 C ATOM 198 OG1 THR B 720 -8.888 -9.229 9.956 1.00 0.00 O ATOM 199 CG2 THR B 720 -9.975 -10.367 8.124 1.00 0.00 C ATOM 0 H THR B 720 -6.685 -8.506 9.307 1.00 0.00 H new ATOM 0 HA THR B 720 -7.465 -11.112 8.580 1.00 0.00 H new ATOM 0 HB THR B 720 -8.927 -8.493 8.034 1.00 0.00 H new ATOM 0 HG1 THR B 720 -8.346 -8.446 10.188 1.00 0.00 H new ATOM 0 HG21 THR B 720 -10.929 -9.905 8.380 1.00 0.00 H new ATOM 0 HG22 THR B 720 -9.928 -10.529 7.047 1.00 0.00 H new ATOM 0 HG23 THR B 720 -9.885 -11.323 8.639 1.00 0.00 H new ATOM 207 N ILE B 721 -7.013 -8.999 6.082 1.00 0.00 N ATOM 208 CA ILE B 721 -6.838 -8.924 4.637 1.00 0.00 C ATOM 209 C ILE B 721 -5.668 -9.800 4.195 1.00 0.00 C ATOM 210 O ILE B 721 -5.753 -10.508 3.196 1.00 0.00 O ATOM 211 CB ILE B 721 -6.585 -7.474 4.217 1.00 0.00 C ATOM 212 CG1 ILE B 721 -7.848 -6.646 4.464 1.00 0.00 C ATOM 213 CG2 ILE B 721 -6.229 -7.426 2.729 1.00 0.00 C ATOM 214 CD1 ILE B 721 -7.522 -5.160 4.311 1.00 0.00 C ATOM 0 H ILE B 721 -6.869 -8.117 6.574 1.00 0.00 H new ATOM 0 HA ILE B 721 -7.748 -9.285 4.158 1.00 0.00 H new ATOM 0 HB ILE B 721 -5.760 -7.066 4.801 1.00 0.00 H new ATOM 0 HG12 ILE B 721 -8.627 -6.933 3.758 1.00 0.00 H new ATOM 0 HG13 ILE B 721 -8.235 -6.843 5.464 1.00 0.00 H new ATOM 0 HG21 ILE B 721 -6.049 -6.393 2.431 1.00 0.00 H new ATOM 0 HG22 ILE B 721 -5.331 -8.017 2.551 1.00 0.00 H new ATOM 0 HG23 ILE B 721 -7.054 -7.834 2.144 1.00 0.00 H new ATOM 0 HD11 ILE B 721 -8.422 -4.570 4.487 1.00 0.00 H new ATOM 0 HD12 ILE B 721 -6.757 -4.879 5.034 1.00 0.00 H new ATOM 0 HD13 ILE B 721 -7.155 -4.970 3.302 1.00 0.00 H new ATOM 226 N HIS B 722 -4.573 -9.735 4.943 1.00 0.00 N ATOM 227 CA HIS B 722 -3.388 -10.520 4.618 1.00 0.00 C ATOM 228 C HIS B 722 -3.677 -12.009 4.774 1.00 0.00 C ATOM 229 O HIS B 722 -3.062 -12.845 4.112 1.00 0.00 O ATOM 230 CB HIS B 722 -2.228 -10.122 5.533 1.00 0.00 C ATOM 231 CG HIS B 722 -0.988 -10.869 5.122 1.00 0.00 C ATOM 232 ND1 HIS B 722 -0.251 -10.519 4.002 1.00 0.00 N ATOM 233 CD2 HIS B 722 -0.343 -11.949 5.672 1.00 0.00 C ATOM 234 CE1 HIS B 722 0.785 -11.372 3.915 1.00 0.00 C ATOM 235 NE2 HIS B 722 0.777 -12.265 4.908 1.00 0.00 N ATOM 0 H HIS B 722 -4.481 -9.151 5.774 1.00 0.00 H new ATOM 0 HA HIS B 722 -3.114 -10.320 3.582 1.00 0.00 H new ATOM 0 HB2 HIS B 722 -2.055 -9.047 5.473 1.00 0.00 H new ATOM 0 HB3 HIS B 722 -2.475 -10.348 6.570 1.00 0.00 H new ATOM 0 HD2 HIS B 722 -0.657 -12.474 6.562 1.00 0.00 H new ATOM 0 HE1 HIS B 722 1.533 -11.339 3.136 1.00 0.00 H new ATOM 0 HE2 HIS B 722 1.447 -13.017 5.071 1.00 0.00 H new ATOM 244 N ASP B 723 -4.610 -12.336 5.664 1.00 0.00 N ATOM 245 CA ASP B 723 -4.966 -13.729 5.907 1.00 0.00 C ATOM 246 C ASP B 723 -5.732 -14.303 4.721 1.00 0.00 C ATOM 247 O ASP B 723 -5.857 -15.520 4.581 1.00 0.00 O ATOM 248 CB ASP B 723 -5.822 -13.837 7.170 1.00 0.00 C ATOM 249 CG ASP B 723 -4.968 -13.568 8.404 1.00 0.00 C ATOM 250 OD1 ASP B 723 -3.756 -13.599 8.280 1.00 0.00 O ATOM 251 OD2 ASP B 723 -5.540 -13.333 9.456 1.00 0.00 O ATOM 0 H ASP B 723 -5.129 -11.660 6.225 1.00 0.00 H new ATOM 0 HA ASP B 723 -4.047 -14.300 6.041 1.00 0.00 H new ATOM 0 HB2 ASP B 723 -6.644 -13.123 7.124 1.00 0.00 H new ATOM 0 HB3 ASP B 723 -6.266 -14.830 7.234 1.00 0.00 H new ATOM 256 N ARG B 724 -6.240 -13.420 3.868 1.00 0.00 N ATOM 257 CA ARG B 724 -6.992 -13.853 2.695 1.00 0.00 C ATOM 258 C ARG B 724 -6.044 -14.262 1.572 1.00 0.00 C ATOM 259 O ARG B 724 -5.087 -13.554 1.264 1.00 0.00 O ATOM 260 CB ARG B 724 -7.901 -12.722 2.210 1.00 0.00 C ATOM 261 CG ARG B 724 -8.979 -12.446 3.260 1.00 0.00 C ATOM 262 CD ARG B 724 -9.849 -11.273 2.806 1.00 0.00 C ATOM 263 NE ARG B 724 -10.595 -11.634 1.607 1.00 0.00 N ATOM 264 CZ ARG B 724 -11.382 -10.754 0.996 1.00 0.00 C ATOM 265 NH1 ARG B 724 -11.498 -9.544 1.469 1.00 0.00 N ATOM 266 NH2 ARG B 724 -12.040 -11.101 -0.077 1.00 0.00 N ATOM 0 H ARG B 724 -6.146 -12.409 3.965 1.00 0.00 H new ATOM 0 HA ARG B 724 -7.600 -14.713 2.974 1.00 0.00 H new ATOM 0 HB2 ARG B 724 -7.314 -11.821 2.031 1.00 0.00 H new ATOM 0 HB3 ARG B 724 -8.364 -12.995 1.262 1.00 0.00 H new ATOM 0 HG2 ARG B 724 -9.595 -13.334 3.406 1.00 0.00 H new ATOM 0 HG3 ARG B 724 -8.516 -12.218 4.220 1.00 0.00 H new ATOM 0 HD2 ARG B 724 -10.539 -10.993 3.602 1.00 0.00 H new ATOM 0 HD3 ARG B 724 -9.224 -10.403 2.606 1.00 0.00 H new ATOM 0 HE ARG B 724 -10.512 -12.578 1.230 1.00 0.00 H new ATOM 0 HH11 ARG B 724 -10.985 -9.273 2.308 1.00 0.00 H new ATOM 0 HH12 ARG B 724 -12.102 -8.869 1.000 1.00 0.00 H new ATOM 0 HH21 ARG B 724 -11.950 -12.047 -0.447 1.00 0.00 H new ATOM 0 HH22 ARG B 724 -12.644 -10.426 -0.546 1.00 0.00 H new ATOM 280 N LYS B 725 -6.321 -15.411 0.962 1.00 0.00 N ATOM 281 CA LYS B 725 -5.491 -15.905 -0.130 1.00 0.00 C ATOM 282 C LYS B 725 -5.584 -14.977 -1.335 1.00 0.00 C ATOM 283 O LYS B 725 -4.600 -14.761 -2.043 1.00 0.00 O ATOM 284 CB LYS B 725 -5.934 -17.315 -0.527 1.00 0.00 C ATOM 285 CG LYS B 725 -5.631 -18.286 0.617 1.00 0.00 C ATOM 286 CD LYS B 725 -6.098 -19.691 0.230 1.00 0.00 C ATOM 287 CE LYS B 725 -5.727 -20.676 1.340 1.00 0.00 C ATOM 288 NZ LYS B 725 -6.479 -20.332 2.580 1.00 0.00 N ATOM 0 H LYS B 725 -7.108 -16.013 1.204 1.00 0.00 H new ATOM 0 HA LYS B 725 -4.456 -15.935 0.209 1.00 0.00 H new ATOM 0 HB2 LYS B 725 -7.000 -17.323 -0.752 1.00 0.00 H new ATOM 0 HB3 LYS B 725 -5.415 -17.629 -1.432 1.00 0.00 H new ATOM 0 HG2 LYS B 725 -4.562 -18.292 0.830 1.00 0.00 H new ATOM 0 HG3 LYS B 725 -6.135 -17.961 1.527 1.00 0.00 H new ATOM 0 HD2 LYS B 725 -7.176 -19.696 0.070 1.00 0.00 H new ATOM 0 HD3 LYS B 725 -5.635 -19.994 -0.709 1.00 0.00 H new ATOM 0 HE2 LYS B 725 -5.961 -21.695 1.030 1.00 0.00 H new ATOM 0 HE3 LYS B 725 -4.654 -20.639 1.530 1.00 0.00 H new ATOM 0 HZ1 LYS B 725 -6.460 -21.141 3.233 1.00 0.00 H new ATOM 0 HZ2 LYS B 725 -6.038 -19.508 3.036 1.00 0.00 H new ATOM 0 HZ3 LYS B 725 -7.465 -20.107 2.337 1.00 0.00 H new ATOM 302 N GLU B 726 -6.773 -14.437 -1.570 1.00 0.00 N ATOM 303 CA GLU B 726 -6.986 -13.542 -2.701 1.00 0.00 C ATOM 304 C GLU B 726 -6.046 -12.347 -2.619 1.00 0.00 C ATOM 305 O GLU B 726 -5.568 -11.854 -3.639 1.00 0.00 O ATOM 306 CB GLU B 726 -8.438 -13.051 -2.714 1.00 0.00 C ATOM 307 CG GLU B 726 -9.386 -14.245 -2.911 1.00 0.00 C ATOM 308 CD GLU B 726 -9.656 -14.929 -1.573 1.00 0.00 C ATOM 309 OE1 GLU B 726 -9.060 -14.525 -0.588 1.00 0.00 O ATOM 310 OE2 GLU B 726 -10.463 -15.840 -1.551 1.00 0.00 O ATOM 0 H GLU B 726 -7.600 -14.601 -0.997 1.00 0.00 H new ATOM 0 HA GLU B 726 -6.780 -14.092 -3.620 1.00 0.00 H new ATOM 0 HB2 GLU B 726 -8.668 -12.542 -1.778 1.00 0.00 H new ATOM 0 HB3 GLU B 726 -8.580 -12.325 -3.515 1.00 0.00 H new ATOM 0 HG2 GLU B 726 -10.324 -13.906 -3.350 1.00 0.00 H new ATOM 0 HG3 GLU B 726 -8.946 -14.957 -3.610 1.00 0.00 H new ATOM 317 N PHE B 727 -5.783 -11.891 -1.399 1.00 0.00 N ATOM 318 CA PHE B 727 -4.893 -10.753 -1.197 1.00 0.00 C ATOM 319 C PHE B 727 -3.496 -11.072 -1.724 1.00 0.00 C ATOM 320 O PHE B 727 -2.878 -10.257 -2.409 1.00 0.00 O ATOM 321 CB PHE B 727 -4.815 -10.412 0.291 1.00 0.00 C ATOM 322 CG PHE B 727 -4.093 -9.095 0.467 1.00 0.00 C ATOM 323 CD1 PHE B 727 -4.696 -7.907 0.038 1.00 0.00 C ATOM 324 CD2 PHE B 727 -2.824 -9.062 1.059 1.00 0.00 C ATOM 325 CE1 PHE B 727 -4.033 -6.686 0.200 1.00 0.00 C ATOM 326 CE2 PHE B 727 -2.161 -7.841 1.222 1.00 0.00 C ATOM 327 CZ PHE B 727 -2.765 -6.654 0.792 1.00 0.00 C ATOM 0 H PHE B 727 -6.169 -12.287 -0.542 1.00 0.00 H new ATOM 0 HA PHE B 727 -5.290 -9.898 -1.744 1.00 0.00 H new ATOM 0 HB2 PHE B 727 -5.818 -10.349 0.714 1.00 0.00 H new ATOM 0 HB3 PHE B 727 -4.291 -11.202 0.829 1.00 0.00 H new ATOM 0 HD1 PHE B 727 -5.674 -7.933 -0.419 1.00 0.00 H new ATOM 0 HD2 PHE B 727 -2.358 -9.978 1.389 1.00 0.00 H new ATOM 0 HE1 PHE B 727 -4.499 -5.770 -0.131 1.00 0.00 H new ATOM 0 HE2 PHE B 727 -1.183 -7.814 1.680 1.00 0.00 H new ATOM 0 HZ PHE B 727 -2.252 -5.712 0.917 1.00 0.00 H new ATOM 337 N ALA B 728 -3.000 -12.265 -1.401 1.00 0.00 N ATOM 338 CA ALA B 728 -1.679 -12.682 -1.849 1.00 0.00 C ATOM 339 C ALA B 728 -1.647 -12.817 -3.368 1.00 0.00 C ATOM 340 O ALA B 728 -0.641 -12.510 -4.007 1.00 0.00 O ATOM 341 CB ALA B 728 -1.305 -14.020 -1.206 1.00 0.00 C ATOM 0 H ALA B 728 -3.493 -12.955 -0.833 1.00 0.00 H new ATOM 0 HA ALA B 728 -0.958 -11.922 -1.548 1.00 0.00 H new ATOM 0 HB1 ALA B 728 -0.315 -14.324 -1.547 1.00 0.00 H new ATOM 0 HB2 ALA B 728 -1.298 -13.913 -0.121 1.00 0.00 H new ATOM 0 HB3 ALA B 728 -2.035 -14.777 -1.491 1.00 0.00 H new ATOM 347 N LYS B 729 -2.753 -13.281 -3.942 1.00 0.00 N ATOM 348 CA LYS B 729 -2.839 -13.455 -5.387 1.00 0.00 C ATOM 349 C LYS B 729 -2.649 -12.125 -6.103 1.00 0.00 C ATOM 350 O LYS B 729 -1.928 -12.040 -7.094 1.00 0.00 O ATOM 351 CB LYS B 729 -4.201 -14.045 -5.758 1.00 0.00 C ATOM 352 CG LYS B 729 -4.328 -15.458 -5.171 1.00 0.00 C ATOM 353 CD LYS B 729 -3.647 -16.469 -6.098 1.00 0.00 C ATOM 354 CE LYS B 729 -3.828 -17.878 -5.538 1.00 0.00 C ATOM 355 NZ LYS B 729 -3.214 -18.861 -6.474 1.00 0.00 N ATOM 0 H LYS B 729 -3.597 -13.542 -3.432 1.00 0.00 H new ATOM 0 HA LYS B 729 -2.047 -14.136 -5.699 1.00 0.00 H new ATOM 0 HB2 LYS B 729 -5.000 -13.409 -5.377 1.00 0.00 H new ATOM 0 HB3 LYS B 729 -4.311 -14.079 -6.842 1.00 0.00 H new ATOM 0 HG2 LYS B 729 -3.871 -15.493 -4.182 1.00 0.00 H new ATOM 0 HG3 LYS B 729 -5.380 -15.716 -5.046 1.00 0.00 H new ATOM 0 HD2 LYS B 729 -4.075 -16.406 -7.099 1.00 0.00 H new ATOM 0 HD3 LYS B 729 -2.586 -16.237 -6.190 1.00 0.00 H new ATOM 0 HE2 LYS B 729 -3.362 -17.954 -4.555 1.00 0.00 H new ATOM 0 HE3 LYS B 729 -4.888 -18.096 -5.406 1.00 0.00 H new ATOM 0 HZ1 LYS B 729 -3.335 -19.822 -6.096 1.00 0.00 H new ATOM 0 HZ2 LYS B 729 -3.678 -18.793 -7.402 1.00 0.00 H new ATOM 0 HZ3 LYS B 729 -2.200 -18.655 -6.578 1.00 0.00 H new ATOM 369 N PHE B 730 -3.289 -11.083 -5.581 1.00 0.00 N ATOM 370 CA PHE B 730 -3.173 -9.755 -6.166 1.00 0.00 C ATOM 371 C PHE B 730 -1.724 -9.280 -6.126 1.00 0.00 C ATOM 372 O PHE B 730 -1.229 -8.683 -7.083 1.00 0.00 O ATOM 373 CB PHE B 730 -4.060 -8.768 -5.406 1.00 0.00 C ATOM 374 CG PHE B 730 -3.902 -7.388 -6.001 1.00 0.00 C ATOM 375 CD1 PHE B 730 -4.567 -7.057 -7.187 1.00 0.00 C ATOM 376 CD2 PHE B 730 -3.089 -6.442 -5.366 1.00 0.00 C ATOM 377 CE1 PHE B 730 -4.419 -5.779 -7.737 1.00 0.00 C ATOM 378 CE2 PHE B 730 -2.941 -5.165 -5.916 1.00 0.00 C ATOM 379 CZ PHE B 730 -3.606 -4.831 -7.102 1.00 0.00 C ATOM 0 H PHE B 730 -3.890 -11.134 -4.758 1.00 0.00 H new ATOM 0 HA PHE B 730 -3.499 -9.805 -7.205 1.00 0.00 H new ATOM 0 HB2 PHE B 730 -5.102 -9.082 -5.461 1.00 0.00 H new ATOM 0 HB3 PHE B 730 -3.786 -8.754 -4.351 1.00 0.00 H new ATOM 0 HD1 PHE B 730 -5.194 -7.787 -7.677 1.00 0.00 H new ATOM 0 HD2 PHE B 730 -2.576 -6.698 -4.451 1.00 0.00 H new ATOM 0 HE1 PHE B 730 -4.932 -5.523 -8.652 1.00 0.00 H new ATOM 0 HE2 PHE B 730 -2.313 -4.436 -5.426 1.00 0.00 H new ATOM 0 HZ PHE B 730 -3.492 -3.844 -7.527 1.00 0.00 H new ATOM 389 N GLU B 731 -1.052 -9.536 -5.008 1.00 0.00 N ATOM 390 CA GLU B 731 0.336 -9.119 -4.850 1.00 0.00 C ATOM 391 C GLU B 731 1.201 -9.706 -5.960 1.00 0.00 C ATOM 392 O GLU B 731 2.076 -9.029 -6.500 1.00 0.00 O ATOM 393 CB GLU B 731 0.867 -9.578 -3.488 1.00 0.00 C ATOM 394 CG GLU B 731 0.189 -8.775 -2.378 1.00 0.00 C ATOM 395 CD GLU B 731 0.651 -9.279 -1.015 1.00 0.00 C ATOM 396 OE1 GLU B 731 1.486 -10.169 -0.985 1.00 0.00 O ATOM 397 OE2 GLU B 731 0.163 -8.769 -0.020 1.00 0.00 O ATOM 0 H GLU B 731 -1.443 -10.027 -4.204 1.00 0.00 H new ATOM 0 HA GLU B 731 0.379 -8.031 -4.909 1.00 0.00 H new ATOM 0 HB2 GLU B 731 0.675 -10.642 -3.351 1.00 0.00 H new ATOM 0 HB3 GLU B 731 1.947 -9.441 -3.442 1.00 0.00 H new ATOM 0 HG2 GLU B 731 0.429 -7.717 -2.484 1.00 0.00 H new ATOM 0 HG3 GLU B 731 -0.894 -8.866 -2.461 1.00 0.00 H new ATOM 404 N GLU B 732 0.951 -10.967 -6.298 1.00 0.00 N ATOM 405 CA GLU B 732 1.712 -11.630 -7.348 1.00 0.00 C ATOM 406 C GLU B 732 1.491 -10.934 -8.689 1.00 0.00 C ATOM 407 O GLU B 732 2.432 -10.725 -9.454 1.00 0.00 O ATOM 408 CB GLU B 732 1.283 -13.093 -7.457 1.00 0.00 C ATOM 409 CG GLU B 732 1.657 -13.832 -6.172 1.00 0.00 C ATOM 410 CD GLU B 732 1.221 -15.291 -6.262 1.00 0.00 C ATOM 411 OE1 GLU B 732 0.747 -15.683 -7.316 1.00 0.00 O ATOM 412 OE2 GLU B 732 1.371 -15.995 -5.277 1.00 0.00 O ATOM 0 H GLU B 732 0.233 -11.546 -5.863 1.00 0.00 H new ATOM 0 HA GLU B 732 2.770 -11.579 -7.093 1.00 0.00 H new ATOM 0 HB2 GLU B 732 0.208 -13.156 -7.625 1.00 0.00 H new ATOM 0 HB3 GLU B 732 1.768 -13.562 -8.313 1.00 0.00 H new ATOM 0 HG2 GLU B 732 2.733 -13.775 -6.010 1.00 0.00 H new ATOM 0 HG3 GLU B 732 1.181 -13.354 -5.316 1.00 0.00 H new ATOM 419 N GLU B 733 0.240 -10.575 -8.966 1.00 0.00 N ATOM 420 CA GLU B 733 -0.092 -9.903 -10.217 1.00 0.00 C ATOM 421 C GLU B 733 0.532 -8.510 -10.257 1.00 0.00 C ATOM 422 O GLU B 733 0.929 -8.023 -11.312 1.00 0.00 O ATOM 423 CB GLU B 733 -1.611 -9.790 -10.363 1.00 0.00 C ATOM 424 CG GLU B 733 -2.209 -11.184 -10.559 1.00 0.00 C ATOM 425 CD GLU B 733 -3.731 -11.099 -10.595 1.00 0.00 C ATOM 426 OE1 GLU B 733 -4.243 -9.993 -10.537 1.00 0.00 O ATOM 427 OE2 GLU B 733 -4.362 -12.140 -10.675 1.00 0.00 O ATOM 0 H GLU B 733 -0.554 -10.737 -8.346 1.00 0.00 H new ATOM 0 HA GLU B 733 0.308 -10.492 -11.042 1.00 0.00 H new ATOM 0 HB2 GLU B 733 -2.038 -9.320 -9.477 1.00 0.00 H new ATOM 0 HB3 GLU B 733 -1.859 -9.153 -11.212 1.00 0.00 H new ATOM 0 HG2 GLU B 733 -1.839 -11.620 -11.487 1.00 0.00 H new ATOM 0 HG3 GLU B 733 -1.892 -11.842 -9.749 1.00 0.00 H new ATOM 434 N ARG B 734 0.608 -7.869 -9.099 1.00 0.00 N ATOM 435 CA ARG B 734 1.187 -6.533 -9.016 1.00 0.00 C ATOM 436 C ARG B 734 2.680 -6.580 -9.319 1.00 0.00 C ATOM 437 O ARG B 734 3.207 -5.724 -10.031 1.00 0.00 O ATOM 438 CB ARG B 734 0.966 -5.956 -7.616 1.00 0.00 C ATOM 439 CG ARG B 734 1.487 -4.515 -7.567 1.00 0.00 C ATOM 440 CD ARG B 734 1.255 -3.935 -6.171 1.00 0.00 C ATOM 441 NE ARG B 734 1.574 -2.512 -6.159 1.00 0.00 N ATOM 442 CZ ARG B 734 1.726 -1.852 -5.015 1.00 0.00 C ATOM 443 NH1 ARG B 734 1.588 -2.477 -3.878 1.00 0.00 N ATOM 444 NH2 ARG B 734 2.011 -0.578 -5.029 1.00 0.00 N ATOM 0 H ARG B 734 0.279 -8.247 -8.211 1.00 0.00 H new ATOM 0 HA ARG B 734 0.697 -5.896 -9.753 1.00 0.00 H new ATOM 0 HB2 ARG B 734 -0.095 -5.979 -7.365 1.00 0.00 H new ATOM 0 HB3 ARG B 734 1.482 -6.566 -6.874 1.00 0.00 H new ATOM 0 HG2 ARG B 734 2.549 -4.493 -7.809 1.00 0.00 H new ATOM 0 HG3 ARG B 734 0.977 -3.907 -8.314 1.00 0.00 H new ATOM 0 HD2 ARG B 734 0.217 -4.085 -5.874 1.00 0.00 H new ATOM 0 HD3 ARG B 734 1.874 -4.460 -5.443 1.00 0.00 H new ATOM 0 HE ARG B 734 1.682 -2.015 -7.043 1.00 0.00 H new ATOM 0 HH11 ARG B 734 1.364 -3.472 -3.867 1.00 0.00 H new ATOM 0 HH12 ARG B 734 1.705 -1.971 -3.000 1.00 0.00 H new ATOM 0 HH21 ARG B 734 2.117 -0.089 -5.918 1.00 0.00 H new ATOM 0 HH22 ARG B 734 2.128 -0.072 -4.151 1.00 0.00 H new ATOM 458 N ALA B 735 3.360 -7.575 -8.763 1.00 0.00 N ATOM 459 CA ALA B 735 4.799 -7.715 -8.970 1.00 0.00 C ATOM 460 C ALA B 735 5.103 -8.083 -10.419 1.00 0.00 C ATOM 461 O ALA B 735 5.956 -7.467 -11.059 1.00 0.00 O ATOM 462 CB ALA B 735 5.358 -8.795 -8.043 1.00 0.00 C ATOM 0 H ALA B 735 2.944 -8.293 -8.170 1.00 0.00 H new ATOM 0 HA ALA B 735 5.271 -6.759 -8.743 1.00 0.00 H new ATOM 0 HB1 ALA B 735 6.432 -8.893 -8.204 1.00 0.00 H new ATOM 0 HB2 ALA B 735 5.170 -8.517 -7.006 1.00 0.00 H new ATOM 0 HB3 ALA B 735 4.871 -9.746 -8.257 1.00 0.00 H new ATOM 468 N ARG B 736 4.405 -9.089 -10.931 1.00 0.00 N ATOM 469 CA ARG B 736 4.615 -9.531 -12.299 1.00 0.00 C ATOM 470 C ARG B 736 4.178 -8.449 -13.280 1.00 0.00 C ATOM 471 O ARG B 736 4.750 -8.310 -14.359 1.00 0.00 O ATOM 472 CB ARG B 736 3.824 -10.831 -12.546 1.00 0.00 C ATOM 473 CG ARG B 736 2.398 -10.506 -12.982 1.00 0.00 C ATOM 474 CD ARG B 736 1.538 -11.761 -12.919 1.00 0.00 C ATOM 475 NE ARG B 736 2.014 -12.739 -13.889 1.00 0.00 N ATOM 476 CZ ARG B 736 1.653 -12.674 -15.165 1.00 0.00 C ATOM 477 NH1 ARG B 736 0.862 -11.717 -15.572 1.00 0.00 N ATOM 478 NH2 ARG B 736 2.087 -13.564 -16.013 1.00 0.00 N ATOM 0 H ARG B 736 3.692 -9.610 -10.420 1.00 0.00 H new ATOM 0 HA ARG B 736 5.677 -9.723 -12.454 1.00 0.00 H new ATOM 0 HB2 ARG B 736 4.320 -11.427 -13.313 1.00 0.00 H new ATOM 0 HB3 ARG B 736 3.806 -11.432 -11.637 1.00 0.00 H new ATOM 0 HG2 ARG B 736 1.978 -9.734 -12.337 1.00 0.00 H new ATOM 0 HG3 ARG B 736 2.401 -10.107 -13.996 1.00 0.00 H new ATOM 0 HD2 ARG B 736 1.572 -12.185 -11.916 1.00 0.00 H new ATOM 0 HD3 ARG B 736 0.497 -11.510 -13.124 1.00 0.00 H new ATOM 0 HE ARG B 736 2.636 -13.487 -13.582 1.00 0.00 H new ATOM 0 HH11 ARG B 736 0.522 -11.020 -14.909 1.00 0.00 H new ATOM 0 HH12 ARG B 736 0.585 -11.667 -16.552 1.00 0.00 H new ATOM 0 HH21 ARG B 736 2.705 -14.311 -15.696 1.00 0.00 H new ATOM 0 HH22 ARG B 736 1.809 -13.513 -16.993 1.00 0.00 H new ATOM 598 N ASN B 744 6.535 4.779 -13.525 1.00 0.00 N ATOM 599 CA ASN B 744 6.704 6.162 -13.922 1.00 0.00 C ATOM 600 C ASN B 744 7.308 6.982 -12.781 1.00 0.00 C ATOM 601 O ASN B 744 7.018 6.734 -11.607 1.00 0.00 O ATOM 602 CB ASN B 744 5.361 6.770 -14.327 1.00 0.00 C ATOM 603 CG ASN B 744 4.772 5.988 -15.494 1.00 0.00 C ATOM 604 OD1 ASN B 744 5.299 4.940 -15.870 1.00 0.00 O ATOM 605 ND2 ASN B 744 3.704 6.436 -16.094 1.00 0.00 N ATOM 0 HA ASN B 744 7.382 6.185 -14.775 1.00 0.00 H new ATOM 0 HB2 ASN B 744 4.673 6.752 -13.481 1.00 0.00 H new ATOM 0 HB3 ASN B 744 5.494 7.815 -14.608 1.00 0.00 H new ATOM 0 HD21 ASN B 744 3.303 5.918 -16.876 1.00 0.00 H new ATOM 0 HD22 ASN B 744 3.269 7.304 -15.781 1.00 0.00 H new ATOM 612 N PRO B 745 8.138 7.945 -13.101 1.00 0.00 N ATOM 613 CA PRO B 745 8.792 8.812 -12.082 1.00 0.00 C ATOM 614 C PRO B 745 7.798 9.714 -11.361 1.00 0.00 C ATOM 615 O PRO B 745 8.020 10.110 -10.219 1.00 0.00 O ATOM 616 CB PRO B 745 9.803 9.631 -12.902 1.00 0.00 C ATOM 617 CG PRO B 745 9.267 9.633 -14.296 1.00 0.00 C ATOM 618 CD PRO B 745 8.534 8.309 -14.468 1.00 0.00 C ATOM 0 HA PRO B 745 9.257 8.231 -11.285 1.00 0.00 H new ATOM 0 HB2 PRO B 745 9.895 10.645 -12.514 1.00 0.00 H new ATOM 0 HB3 PRO B 745 10.796 9.184 -12.863 1.00 0.00 H new ATOM 0 HG2 PRO B 745 8.593 10.475 -14.453 1.00 0.00 H new ATOM 0 HG3 PRO B 745 10.073 9.730 -15.023 1.00 0.00 H new ATOM 0 HD2 PRO B 745 7.667 8.414 -15.121 1.00 0.00 H new ATOM 0 HD3 PRO B 745 9.178 7.550 -14.913 1.00 0.00 H new ATOM 626 N LEU B 746 6.710 10.037 -12.040 1.00 0.00 N ATOM 627 CA LEU B 746 5.686 10.894 -11.462 1.00 0.00 C ATOM 628 C LEU B 746 5.081 10.240 -10.231 1.00 0.00 C ATOM 629 O LEU B 746 4.698 10.918 -9.275 1.00 0.00 O ATOM 630 CB LEU B 746 4.588 11.166 -12.494 1.00 0.00 C ATOM 631 CG LEU B 746 5.155 12.010 -13.639 1.00 0.00 C ATOM 632 CD1 LEU B 746 4.156 12.040 -14.796 1.00 0.00 C ATOM 633 CD2 LEU B 746 5.419 13.446 -13.152 1.00 0.00 C ATOM 0 H LEU B 746 6.512 9.720 -12.989 1.00 0.00 H new ATOM 0 HA LEU B 746 6.147 11.837 -11.169 1.00 0.00 H new ATOM 0 HB2 LEU B 746 4.198 10.225 -12.881 1.00 0.00 H new ATOM 0 HB3 LEU B 746 3.754 11.687 -12.024 1.00 0.00 H new ATOM 0 HG LEU B 746 6.092 11.568 -13.977 1.00 0.00 H new ATOM 0 HD11 LEU B 746 4.560 12.641 -15.610 1.00 0.00 H new ATOM 0 HD12 LEU B 746 3.977 11.024 -15.149 1.00 0.00 H new ATOM 0 HD13 LEU B 746 3.217 12.476 -14.455 1.00 0.00 H new ATOM 0 HD21 LEU B 746 5.822 14.040 -13.972 1.00 0.00 H new ATOM 0 HD22 LEU B 746 4.486 13.890 -12.807 1.00 0.00 H new ATOM 0 HD23 LEU B 746 6.136 13.426 -12.332 1.00 0.00 H new ATOM 645 N TYR B 747 4.989 8.914 -10.261 1.00 0.00 N ATOM 646 CA TYR B 747 4.421 8.175 -9.138 1.00 0.00 C ATOM 647 C TYR B 747 5.248 8.392 -7.876 1.00 0.00 C ATOM 648 O TYR B 747 4.707 8.645 -6.801 1.00 0.00 O ATOM 649 CB TYR B 747 4.373 6.682 -9.468 1.00 0.00 C ATOM 650 CG TYR B 747 3.829 5.919 -8.283 1.00 0.00 C ATOM 651 CD1 TYR B 747 2.448 5.856 -8.065 1.00 0.00 C ATOM 652 CD2 TYR B 747 4.707 5.276 -7.402 1.00 0.00 C ATOM 653 CE1 TYR B 747 1.943 5.149 -6.966 1.00 0.00 C ATOM 654 CE2 TYR B 747 4.202 4.569 -6.304 1.00 0.00 C ATOM 655 CZ TYR B 747 2.821 4.506 -6.086 1.00 0.00 C ATOM 656 OH TYR B 747 2.325 3.810 -5.002 1.00 0.00 O ATOM 0 H TYR B 747 5.297 8.334 -11.042 1.00 0.00 H new ATOM 0 HA TYR B 747 3.410 8.542 -8.961 1.00 0.00 H new ATOM 0 HB2 TYR B 747 3.745 6.512 -10.342 1.00 0.00 H new ATOM 0 HB3 TYR B 747 5.371 6.322 -9.718 1.00 0.00 H new ATOM 0 HD1 TYR B 747 1.771 6.353 -8.744 1.00 0.00 H new ATOM 0 HD2 TYR B 747 5.773 5.325 -7.569 1.00 0.00 H new ATOM 0 HE1 TYR B 747 0.877 5.100 -6.798 1.00 0.00 H new ATOM 0 HE2 TYR B 747 4.879 4.072 -5.625 1.00 0.00 H new ATOM 0 HH TYR B 747 3.068 3.423 -4.494 1.00 0.00 H new ATOM 666 N LYS B 748 6.562 8.289 -8.018 1.00 0.00 N ATOM 667 CA LYS B 748 7.462 8.474 -6.881 1.00 0.00 C ATOM 668 C LYS B 748 7.347 9.895 -6.338 1.00 0.00 C ATOM 669 O LYS B 748 7.332 10.110 -5.126 1.00 0.00 O ATOM 670 CB LYS B 748 8.908 8.204 -7.305 1.00 0.00 C ATOM 671 CG LYS B 748 9.047 6.745 -7.735 1.00 0.00 C ATOM 672 CD LYS B 748 10.496 6.464 -8.137 1.00 0.00 C ATOM 673 CE LYS B 748 10.653 4.985 -8.496 1.00 0.00 C ATOM 674 NZ LYS B 748 10.073 4.739 -9.847 1.00 0.00 N ATOM 0 H LYS B 748 7.029 8.080 -8.901 1.00 0.00 H new ATOM 0 HA LYS B 748 7.178 7.770 -6.099 1.00 0.00 H new ATOM 0 HB2 LYS B 748 9.187 8.865 -8.126 1.00 0.00 H new ATOM 0 HB3 LYS B 748 9.587 8.417 -6.479 1.00 0.00 H new ATOM 0 HG2 LYS B 748 8.751 6.085 -6.919 1.00 0.00 H new ATOM 0 HG3 LYS B 748 8.380 6.537 -8.572 1.00 0.00 H new ATOM 0 HD2 LYS B 748 10.775 7.086 -8.987 1.00 0.00 H new ATOM 0 HD3 LYS B 748 11.168 6.723 -7.318 1.00 0.00 H new ATOM 0 HE2 LYS B 748 11.707 4.707 -8.484 1.00 0.00 H new ATOM 0 HE3 LYS B 748 10.151 4.364 -7.754 1.00 0.00 H new ATOM 0 HZ1 LYS B 748 10.254 3.754 -10.128 1.00 0.00 H new ATOM 0 HZ2 LYS B 748 9.047 4.909 -9.821 1.00 0.00 H new ATOM 0 HZ3 LYS B 748 10.513 5.382 -10.536 1.00 0.00 H new ATOM 688 N GLU B 749 7.268 10.862 -7.246 1.00 0.00 N ATOM 689 CA GLU B 749 7.157 12.262 -6.848 1.00 0.00 C ATOM 690 C GLU B 749 5.917 12.475 -5.983 1.00 0.00 C ATOM 691 O GLU B 749 5.955 13.207 -4.995 1.00 0.00 O ATOM 692 CB GLU B 749 7.075 13.156 -8.087 1.00 0.00 C ATOM 693 CG GLU B 749 7.222 14.621 -7.674 1.00 0.00 C ATOM 694 CD GLU B 749 8.654 14.894 -7.225 1.00 0.00 C ATOM 695 OE1 GLU B 749 9.484 14.016 -7.394 1.00 0.00 O ATOM 696 OE2 GLU B 749 8.899 15.978 -6.722 1.00 0.00 O ATOM 0 H GLU B 749 7.279 10.705 -8.254 1.00 0.00 H new ATOM 0 HA GLU B 749 8.042 12.526 -6.270 1.00 0.00 H new ATOM 0 HB2 GLU B 749 7.859 12.887 -8.794 1.00 0.00 H new ATOM 0 HB3 GLU B 749 6.122 13.005 -8.594 1.00 0.00 H new ATOM 0 HG2 GLU B 749 6.964 15.271 -8.510 1.00 0.00 H new ATOM 0 HG3 GLU B 749 6.528 14.851 -6.865 1.00 0.00 H new ATOM 703 N ALA B 750 4.825 11.824 -6.359 1.00 0.00 N ATOM 704 CA ALA B 750 3.578 11.942 -5.609 1.00 0.00 C ATOM 705 C ALA B 750 3.735 11.346 -4.213 1.00 0.00 C ATOM 706 O ALA B 750 3.206 11.876 -3.236 1.00 0.00 O ATOM 707 CB ALA B 750 2.449 11.224 -6.348 1.00 0.00 C ATOM 0 H ALA B 750 4.775 11.212 -7.173 1.00 0.00 H new ATOM 0 HA ALA B 750 3.333 13.000 -5.516 1.00 0.00 H new ATOM 0 HB1 ALA B 750 1.524 11.319 -5.779 1.00 0.00 H new ATOM 0 HB2 ALA B 750 2.317 11.671 -7.333 1.00 0.00 H new ATOM 0 HB3 ALA B 750 2.700 10.169 -6.459 1.00 0.00 H new ATOM 713 N THR B 751 4.467 10.239 -4.127 1.00 0.00 N ATOM 714 CA THR B 751 4.688 9.576 -2.848 1.00 0.00 C ATOM 715 C THR B 751 5.424 10.501 -1.885 1.00 0.00 C ATOM 716 O THR B 751 5.067 10.604 -0.711 1.00 0.00 O ATOM 717 CB THR B 751 5.500 8.297 -3.053 1.00 0.00 C ATOM 718 OG1 THR B 751 4.920 7.533 -4.101 1.00 0.00 O ATOM 719 CG2 THR B 751 5.501 7.477 -1.762 1.00 0.00 C ATOM 0 H THR B 751 4.914 9.785 -4.923 1.00 0.00 H new ATOM 0 HA THR B 751 3.718 9.323 -2.420 1.00 0.00 H new ATOM 0 HB THR B 751 6.526 8.556 -3.316 1.00 0.00 H new ATOM 0 HG1 THR B 751 5.070 7.985 -4.957 1.00 0.00 H new ATOM 0 HG21 THR B 751 6.080 6.566 -1.910 1.00 0.00 H new ATOM 0 HG22 THR B 751 5.947 8.064 -0.959 1.00 0.00 H new ATOM 0 HG23 THR B 751 4.477 7.216 -1.496 1.00 0.00 H new ATOM 727 N SER B 752 6.451 11.175 -2.391 1.00 0.00 N ATOM 728 CA SER B 752 7.230 12.093 -1.569 1.00 0.00 C ATOM 729 C SER B 752 6.339 13.191 -1.000 1.00 0.00 C ATOM 730 O SER B 752 6.484 13.584 0.157 1.00 0.00 O ATOM 731 CB SER B 752 8.350 12.718 -2.401 1.00 0.00 C ATOM 732 OG SER B 752 8.879 13.841 -1.707 1.00 0.00 O ATOM 0 H SER B 752 6.762 11.104 -3.360 1.00 0.00 H new ATOM 0 HA SER B 752 7.665 11.531 -0.742 1.00 0.00 H new ATOM 0 HB2 SER B 752 9.136 11.985 -2.583 1.00 0.00 H new ATOM 0 HB3 SER B 752 7.968 13.024 -3.375 1.00 0.00 H new ATOM 0 HG SER B 752 9.599 14.244 -2.237 1.00 0.00 H new ATOM 738 N THR B 753 5.420 13.681 -1.822 1.00 0.00 N ATOM 739 CA THR B 753 4.507 14.736 -1.392 1.00 0.00 C ATOM 740 C THR B 753 3.618 14.248 -0.254 1.00 0.00 C ATOM 741 O THR B 753 3.427 14.947 0.738 1.00 0.00 O ATOM 742 CB THR B 753 3.636 15.187 -2.566 1.00 0.00 C ATOM 743 OG1 THR B 753 4.462 15.450 -3.691 1.00 0.00 O ATOM 744 CG2 THR B 753 2.873 16.456 -2.181 1.00 0.00 C ATOM 0 H THR B 753 5.286 13.369 -2.784 1.00 0.00 H new ATOM 0 HA THR B 753 5.101 15.578 -1.037 1.00 0.00 H new ATOM 0 HB THR B 753 2.923 14.400 -2.814 1.00 0.00 H new ATOM 0 HG1 THR B 753 4.749 14.603 -4.091 1.00 0.00 H new ATOM 0 HG21 THR B 753 2.253 16.776 -3.018 1.00 0.00 H new ATOM 0 HG22 THR B 753 2.240 16.252 -1.318 1.00 0.00 H new ATOM 0 HG23 THR B 753 3.582 17.246 -1.932 1.00 0.00 H new ATOM 752 N PHE B 754 3.084 13.044 -0.404 1.00 0.00 N ATOM 753 CA PHE B 754 2.212 12.468 0.616 1.00 0.00 C ATOM 754 C PHE B 754 2.948 12.359 1.947 1.00 0.00 C ATOM 755 O PHE B 754 2.378 12.627 3.005 1.00 0.00 O ATOM 756 CB PHE B 754 1.737 11.082 0.178 1.00 0.00 C ATOM 757 CG PHE B 754 0.723 10.562 1.170 1.00 0.00 C ATOM 758 CD1 PHE B 754 -0.589 11.050 1.153 1.00 0.00 C ATOM 759 CD2 PHE B 754 1.097 9.591 2.108 1.00 0.00 C ATOM 760 CE1 PHE B 754 -1.527 10.566 2.073 1.00 0.00 C ATOM 761 CE2 PHE B 754 0.159 9.108 3.028 1.00 0.00 C ATOM 762 CZ PHE B 754 -1.153 9.596 3.010 1.00 0.00 C ATOM 0 H PHE B 754 3.237 12.448 -1.217 1.00 0.00 H new ATOM 0 HA PHE B 754 1.349 13.122 0.742 1.00 0.00 H new ATOM 0 HB2 PHE B 754 1.295 11.135 -0.817 1.00 0.00 H new ATOM 0 HB3 PHE B 754 2.584 10.399 0.115 1.00 0.00 H new ATOM 0 HD1 PHE B 754 -0.877 11.799 0.431 1.00 0.00 H new ATOM 0 HD2 PHE B 754 2.109 9.215 2.121 1.00 0.00 H new ATOM 0 HE1 PHE B 754 -2.540 10.941 2.060 1.00 0.00 H new ATOM 0 HE2 PHE B 754 0.447 8.359 3.751 1.00 0.00 H new ATOM 0 HZ PHE B 754 -1.877 9.224 3.720 1.00 0.00 H new ATOM 772 N THR B 755 4.211 11.962 1.887 1.00 0.00 N ATOM 773 CA THR B 755 5.017 11.819 3.093 1.00 0.00 C ATOM 774 C THR B 755 5.035 13.123 3.881 1.00 0.00 C ATOM 775 O THR B 755 4.997 13.121 5.112 1.00 0.00 O ATOM 776 CB THR B 755 6.448 11.420 2.727 1.00 0.00 C ATOM 777 OG1 THR B 755 6.415 10.340 1.803 1.00 0.00 O ATOM 778 CG2 THR B 755 7.202 10.992 3.988 1.00 0.00 C ATOM 0 H THR B 755 4.699 11.734 1.021 1.00 0.00 H new ATOM 0 HA THR B 755 4.573 11.039 3.711 1.00 0.00 H new ATOM 0 HB THR B 755 6.957 12.271 2.275 1.00 0.00 H new ATOM 0 HG1 THR B 755 7.331 10.084 1.566 1.00 0.00 H new ATOM 0 HG21 THR B 755 8.221 10.708 3.724 1.00 0.00 H new ATOM 0 HG22 THR B 755 7.228 11.821 4.695 1.00 0.00 H new ATOM 0 HG23 THR B 755 6.695 10.141 4.444 1.00 0.00 H new ATOM 786 N ASN B 756 5.105 14.236 3.169 1.00 0.00 N ATOM 787 CA ASN B 756 5.131 15.544 3.816 1.00 0.00 C ATOM 788 C ASN B 756 3.806 15.821 4.521 1.00 0.00 C ATOM 789 O ASN B 756 3.785 16.230 5.684 1.00 0.00 O ATOM 790 CB ASN B 756 5.392 16.636 2.776 1.00 0.00 C ATOM 791 CG ASN B 756 5.336 18.012 3.434 1.00 0.00 C ATOM 792 OD1 ASN B 756 4.357 18.344 4.102 1.00 0.00 O ATOM 793 ND2 ASN B 756 6.334 18.839 3.282 1.00 0.00 N ATOM 0 H ASN B 756 5.145 14.264 2.150 1.00 0.00 H new ATOM 0 HA ASN B 756 5.932 15.545 4.556 1.00 0.00 H new ATOM 0 HB2 ASN B 756 6.368 16.484 2.315 1.00 0.00 H new ATOM 0 HB3 ASN B 756 4.651 16.575 1.979 1.00 0.00 H new ATOM 0 HD21 ASN B 756 6.303 19.761 3.717 1.00 0.00 H new ATOM 0 HD22 ASN B 756 7.145 18.563 2.728 1.00 0.00 H new ATOM 800 N ILE B 757 2.703 15.610 3.808 1.00 0.00 N ATOM 801 CA ILE B 757 1.383 15.853 4.376 1.00 0.00 C ATOM 802 C ILE B 757 1.089 14.873 5.505 1.00 0.00 C ATOM 803 O ILE B 757 0.697 15.268 6.600 1.00 0.00 O ATOM 804 CB ILE B 757 0.314 15.713 3.290 1.00 0.00 C ATOM 805 CG1 ILE B 757 0.738 16.518 2.059 1.00 0.00 C ATOM 806 CG2 ILE B 757 -1.022 16.252 3.817 1.00 0.00 C ATOM 807 CD1 ILE B 757 -0.460 16.698 1.115 1.00 0.00 C ATOM 0 H ILE B 757 2.697 15.274 2.845 1.00 0.00 H new ATOM 0 HA ILE B 757 1.367 16.866 4.779 1.00 0.00 H new ATOM 0 HB ILE B 757 0.201 14.663 3.020 1.00 0.00 H new ATOM 0 HG12 ILE B 757 1.121 17.492 2.365 1.00 0.00 H new ATOM 0 HG13 ILE B 757 1.548 16.006 1.540 1.00 0.00 H new ATOM 0 HG21 ILE B 757 -1.784 16.153 3.044 1.00 0.00 H new ATOM 0 HG22 ILE B 757 -1.322 15.684 4.698 1.00 0.00 H new ATOM 0 HG23 ILE B 757 -0.910 17.303 4.084 1.00 0.00 H new ATOM 0 HD11 ILE B 757 -0.152 17.272 0.241 1.00 0.00 H new ATOM 0 HD12 ILE B 757 -0.823 15.721 0.798 1.00 0.00 H new ATOM 0 HD13 ILE B 757 -1.257 17.230 1.635 1.00 0.00 H new ATOM 819 N THR B 758 1.295 13.599 5.228 1.00 0.00 N ATOM 820 CA THR B 758 1.057 12.562 6.233 1.00 0.00 C ATOM 821 C THR B 758 1.990 12.751 7.426 1.00 0.00 C ATOM 822 O THR B 758 1.814 12.125 8.470 1.00 0.00 O ATOM 823 CB THR B 758 1.266 11.169 5.608 1.00 0.00 C ATOM 824 OG1 THR B 758 0.380 10.240 6.225 1.00 0.00 O ATOM 825 CG2 THR B 758 2.713 10.710 5.810 1.00 0.00 C ATOM 0 H THR B 758 1.623 13.252 4.327 1.00 0.00 H new ATOM 0 HA THR B 758 0.028 12.643 6.584 1.00 0.00 H new ATOM 0 HB THR B 758 1.060 11.222 4.539 1.00 0.00 H new ATOM 0 HG1 THR B 758 0.040 9.615 5.551 1.00 0.00 H new ATOM 0 HG21 THR B 758 2.848 9.725 5.364 1.00 0.00 H new ATOM 0 HG22 THR B 758 3.390 11.419 5.334 1.00 0.00 H new ATOM 0 HG23 THR B 758 2.933 10.659 6.876 1.00 0.00 H new